CID 207106

Brn 3948107

Structural Information

Molecular Formula
C7H15N2S2
SMILES
C[N+]1(CCN(CC1)C(=S)S)C
InChI
InChI=1S/C7H14N2S2/c1-9(2)5-3-8(4-6-9)7(10)11/h3-6H2,1-2H3/p+1
InChIKey
NTWYRXZVBIXZGM-UHFFFAOYSA-O
Compound name
4,4-dimethylpiperazin-4-ium-1-carbodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.06767 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07495 129.6
[M+Na]+ 214.05689 136.5
[M-H]- 190.06039 130.2
[M+NH4]+ 209.10149 149.2
[M+K]+ 230.03083 128.4
[M+H-H2O]+ 174.06493 127.0
[M+HCOO]- 236.06587 135.8
[M+CH3COO]- 250.08152 174.1
[M+Na-2H]- 212.04234 132.6
[M]+ 191.06712 125.8
[M]- 191.06822 125.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.